UCSF

ZINC22043037

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 Yes

Popular Name: 10-(4-Methylhexahydro-1,4-diazepino)-10,11-dihydrodibenzo(b,f)thiepin maleate; 1H-1,4-Diazepine, hexahydro-1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1); Hexahydro-1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-1H-1,4-diazepine 10-(4-Methylhexahydro-1,4-diazep…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 10.54 -34.42 1 2 1 8 325.501 1 ↓
Hi High (pH 8-9.5) 4.00 9.59 -3.85 0 2 0 6 324.493 1 ↓
Lo Low (pH 4.5-6) 4.00 11.7 -40.16 1 2 1 8 325.501 1 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )